SCHEMBL6794026

SCHEMBL6794026

CC(C)(C)N(CC12CCC(CNc3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])(CC1)CC2)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 15/20 0.47
PKM P14618 4/20 0.47
POLB P06746 3/20 0.47
GAA P10253 6/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
DOT1L Q8TEK3 1/20 0.41
LMNA P02545 3/20 0.40
HTT P42858 1/20 0.40
MAPK1 P28482 2/20 0.40
MCL1 Q07820 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2952091 0.83 SMN1; SMN2 (0.53) SMN1; SMN2MAPTPKMPOLBGAA
SCHEMBL2946907 0.82 MAPT (0.52) SMN1; SMN2MAPTPKMPOLBGAA
SCHEMBL4478840 0.82 BCL2L1 (0.56) MCL1
SCHEMBL6794022 0.80 MAPT (0.46) SMN1; SMN2MAPTPKMPOLBGAA
SCHEMBL2388189 0.72 MAPT (0.55) SMN1; SMN2MAPTPKMPOLBGAA
SCHEMBL17781784 0.71 MAPT (0.47) SMN1; SMN2MAPTPKMPOLBGAA
SCHEMBL17781785 0.71 MAPT (0.47) SMN1; SMN2MAPTPKMPOLBGAA
SCHEMBL1956245 0.71 SMN1; SMN2 (0.56) SMN1; SMN2MAPTPKMPOLBGAA
SCHEMBL2481803 0.71 MAPT (0.54) SMN1; SMN2MAPTPKMPOLBGAA
SCHEMBL28526212 0.71 MAPT (0.54) SMN1; SMN2MAPTPKMPOLBGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6720338-B2 BCL-X1 INHIBITING COMPOSITIONS AND METHODS OF PROMOTING APOPTOSIS IN A MAMMAL ABBOTT LABORATORIES 2004-04-13 US disclosed